2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one

C13H18N2O3S2 — CID 103414732

IUPAC2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ncc(S(=O)(=O)N2CCCC2C2CCCC2=O)s1
InChIInChI=1S/C13H18N2O3S2/c1-9-14-8-13(19-9)20(17,18)15-7-3-5-11(15)10-4-2-6-12(10)16/h8,10-11H,2-7H2,1H3
InChIKeyRJHVEQKMMZGHAD-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 103414732) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID103414732
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1ncc(S(=O)(=O)N2CCCC2C2CCCC2=O)s1
InChIInChI=1S/C13H18N2O3S2/c1-9-14-8-13(19-9)20(17,18)15-7-3-5-11(15)10-4-2-6-12(10)16/h8,10-11H,2-7H2,1H3
InChIKeyRJHVEQKMMZGHAD-UHFFFAOYSA-N
XLogP1.97
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 103414732) is 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one is Cc1ncc(S(=O)(=O)N2CCCC2C2CCCC2=O)s1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is RJHVEQKMMZGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-9-14-8-13(19-9)20(17,18)15-7-3-5-11(15)10-4-2-6-12(10)16/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 314.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103414732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).